1-(3-fluoranyl-4-methyl-phenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea CAS Name: 1-[[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]amino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-(2-morpholin-4-ium-4-ylethylthiocarbamoylamino)thiourea Formula: C15H23FN5OS2+ MolecularWeight: 372.504423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NNC(=S)NCC[NH+]2CCOCC2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NNC(=S)NCC[NH+]2CCOCC2)F

InChI

InChI=1S/C15H22FN5OS2/c1-11-2-3-12(10-13(11)16)18-15(24)20-19-14(23)17-4-5-21-6-8-22-9-7-21/h2-3,10H,4-9H2,1H3,(H2,17,19,23)(H2,18,20,24)/p+1